| SpectraBase Spectrum ID |
Hh0OoTQ9JRo |
| Name |
Terephthalic acid, di(2-octyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.277009700 u |
| Formula |
C24H38O4 |
| InChI |
InChI=1S/C24H38O4/c1-5-7-9-11-13-19(3)27-23(25)21-15-17-22(18-16-21)24(26)28-20(4)14-12-10-8-6-2/h15-20H,5-14H2,1-4H3 |
| InChIKey |
NRSFNRWPLJBDRB-UHFFFAOYSA-N |
| Molecular Weight |
390.564 g/mol |
| SMILES |
CCCCCCC(OC(=O)C1=CC=C(C=C1)C(=O)OC(CCCCCC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878541 |
